CID 44426094

Chembl228742

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC(=O)N/C=C/C1=CC(=C(C=C1OC)OC)OC
InChI
InChI=1S/C13H17NO4/c1-9(15)14-6-5-10-7-12(17-3)13(18-4)8-11(10)16-2/h5-8H,1-4H3,(H,14,15)/b6-5+
InChIKey
IIWZROGVEIBWNO-AATRIKPKSA-N
Compound name
N-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 155.3
[M+Na]+ 274.10497 163.1
[M-H]- 250.10847 159.4
[M+NH4]+ 269.14957 172.8
[M+K]+ 290.07891 161.8
[M+H-H2O]+ 234.11301 148.7
[M+HCOO]- 296.11395 179.9
[M+CH3COO]- 310.12960 197.8
[M+Na-2H]- 272.09042 158.5
[M]+ 251.11520 160.7
[M]- 251.11630 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.